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Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with Target = 'Immunophilin FKBP12' AND taxid = 9913   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23334
PNG
(3-(pyridin-3-yl)propyl (2S)-1-(3,3-dimethyl-2-oxop...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1
Show InChI InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1
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PubMed
7.5 -42.5n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23319
PNG
(3,3-dimethyl-1-[(2S)-2-(5-phenylpentanoyl)pyrrolid...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1
Show InChI InChI=1S/C22H31NO3/c1-4-22(2,3)20(25)21(26)23-16-10-14-18(23)19(24)15-9-8-13-17-11-6-5-7-12-17/h5-7,11-12,18H,4,8-10,13-16H2,1-3H3/t18-/m0/s1
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30 -39.3n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23372
PNG
(17-[(3-bromobenzene)sulfonyl]-4,6-dimethoxy-11,17-...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4cccc(Br)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C23H25BrN2O5S/c1-30-16-11-14-9-10-25-22(21(14)20(13-16)31-2)18-7-4-8-19(23(25)27)26(18)32(28,29)17-6-3-5-15(24)12-17/h3,5-6,11-13,18-19,22H,4,7-10H2,1-2H3
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54 -40.1n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23397
PNG
(4-(3,5-dimethoxyphenyl)-13-[2-oxo-2-(3,4,5-trimeth...)
Show SMILES COc1cc(OC)cc(c1)N1C=C2C3CCCC(N3C(=O)C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)N2CC1=O
Show InChI InChI=1S/C29H31N3O9/c1-37-18-11-17(12-19(13-18)38-2)30-14-22-20-7-6-8-21(28(35)31(22)15-25(30)33)32(20)29(36)26(34)16-9-23(39-3)27(41-5)24(10-16)40-4/h9-14,20-21H,6-8,15H2,1-5H3
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54 -40.1n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23373
PNG
(4-({4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11....)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)C#N)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H25N3O5S/c1-31-17-12-16-10-11-26-23(22(16)21(13-17)32-2)19-4-3-5-20(24(26)28)27(19)33(29,30)18-8-6-15(14-25)7-9-18/h6-9,12-13,19-20,23H,3-5,10-11H2,1-2H3
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82 -39.1n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23374
PNG
(4,6-dimethoxy-17-[(4-methylbenzene)sulfonyl]-11,17...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(C)cc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H28N2O5S/c1-15-7-9-18(10-8-15)32(28,29)26-19-5-4-6-20(26)24(27)25-12-11-16-13-17(30-2)14-21(31-3)22(16)23(19)25/h7-10,13-14,19-20,23H,4-6,11-12H2,1-3H3
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84 -39.0n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23375
PNG
(4,6-dimethoxy-17-[(4-phenylbenzene)sulfonyl]-11,17...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)-c4ccccc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C29H30N2O5S/c1-35-22-17-21-15-16-30-28(27(21)26(18-22)36-2)24-9-6-10-25(29(30)32)31(24)37(33,34)23-13-11-20(12-14-23)19-7-4-3-5-8-19/h3-5,7-8,11-14,17-18,24-25,28H,6,9-10,15-16H2,1-2H3
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88 -38.9n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23365
PNG
(17-[2,2-difluoro-2-(3,4,5-trimethoxyphenyl)acetyl]...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(F)(F)c4cc(OC)c(OC)c(OC)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C28H32F2N2O7/c1-35-17-11-15-9-10-31-24(23(15)20(14-17)36-2)18-7-6-8-19(26(31)33)32(18)27(34)28(29,30)16-12-21(37-3)25(39-5)22(13-16)38-4/h11-14,18-19,24H,6-10H2,1-5H3
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91 -38.8n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23376
PNG
(17-[(4-bromobenzene)sulfonyl]-4,6-dimethoxy-11,17-...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(Br)cc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C23H25BrN2O5S/c1-30-16-12-14-10-11-25-22(21(14)20(13-16)31-2)18-4-3-5-19(23(25)27)26(18)32(28,29)17-8-6-15(24)7-9-17/h6-9,12-13,18-19,22H,3-5,10-11H2,1-2H3
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92 -38.8n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23377
PNG
(4,6-dimethoxy-17-[(3-methylbenzene)sulfonyl]-11,17...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4cccc(C)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H28N2O5S/c1-15-6-4-7-18(12-15)32(28,29)26-19-8-5-9-20(26)24(27)25-11-10-16-13-17(30-2)14-21(31-3)22(16)23(19)25/h4,6-7,12-14,19-20,23H,5,8-11H2,1-3H3
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104 -38.5n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23367
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccs4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C23H24N2O5S/c1-29-14-11-13-8-9-24-20(19(13)17(12-14)30-2)15-5-3-6-16(22(24)27)25(15)23(28)21(26)18-7-4-10-31-18/h4,7,10-12,15-16,20H,3,5-6,8-9H2,1-2H3
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107 -38.5n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23368
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cccnc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H25N3O5/c1-31-16-11-14-8-10-26-21(20(14)19(12-16)32-2)17-6-3-7-18(23(26)29)27(17)24(30)22(28)15-5-4-9-25-13-15/h4-5,9,11-13,17-18,21H,3,6-8,10H2,1-2H3
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110 -38.4n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23369
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccncc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H25N3O5/c1-31-16-12-15-8-11-26-21(20(15)19(13-16)32-2)17-4-3-5-18(23(26)29)27(17)24(30)22(28)14-6-9-25-10-7-14/h6-7,9-10,12-13,17-18,21H,3-5,8,11H2,1-2H3
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114 -38.3n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23387
PNG
(17-{[(2R,6S)-2,6-dimethylmorpholine-4-]sulfonyl}-6...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)N4C[C@H](C)O[C@H](C)C4)C(=O)N3CCc2c1
Show InChI InChI=1S/C22H31N3O5S/c1-14-12-23(13-15(2)30-14)31(27,28)25-19-5-4-6-20(25)22(26)24-10-9-16-11-17(29-3)7-8-18(16)21(19)24/h7-8,11,14-15,19-21H,4-6,9-10,12-13H2,1-3H3/t14-,15+,19?,20?,21?
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123 -38.1n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23322
PNG
(3,3-dimethyl-1-[(2S)-2-{5-[2,3,5,6-tetrafluoro-4-(...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1c(F)c(F)c(c(F)c1F)C(F)(F)F
Show InChI InChI=1S/C23H26F7NO3/c1-4-22(2,3)20(33)21(34)31-11-7-9-13(31)14(32)10-6-5-8-12-16(24)18(26)15(23(28,29)30)19(27)17(12)25/h13H,4-11H2,1-3H3/t13-/m0/s1
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130 -36.0n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23388
PNG
(N-(3,4-difluorophenyl)-6-methoxy-12-oxo-11,17-diaz...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(F)c(F)c4)C(=O)N3CCc2c1
Show InChI InChI=1S/C22H23F2N3O4S/c1-31-15-6-7-16-13(11-15)9-10-26-21(16)19-3-2-4-20(22(26)28)27(19)32(29,30)25-14-5-8-17(23)18(24)12-14/h5-8,11-12,19-21,25H,2-4,9-10H2,1H3
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150 -37.6n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23378
PNG
(17-{[4-(3,4-dichlorophenyl)benzene]sulfonyl}-4,6-d...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(cc4)-c4ccc(Cl)c(Cl)c4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C29H28Cl2N2O5S/c1-37-20-14-19-12-13-32-28(27(19)26(16-20)38-2)24-4-3-5-25(29(32)34)33(24)39(35,36)21-9-6-17(7-10-21)18-8-11-22(30)23(31)15-18/h6-11,14-16,24-25,28H,3-5,12-13H2,1-2H3
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156 -37.5n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23323
PNG
(3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)pyrrolidi...)
Show SMILES CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1
Show InChI InChI=1S/C20H27NO3/c1-20(2,3)18(23)19(24)21-14-8-12-16(21)17(22)13-7-11-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3/t16-/m0/s1
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180 -35.3n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23389
PNG
(N-(6-fluoropyridin-3-yl)-6-methoxy-12-oxo-11,17-di...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(F)nc4)C(=O)N3CCc2c1
Show InChI InChI=1S/C21H23FN4O4S/c1-30-15-6-7-16-13(11-15)9-10-25-20(16)17-3-2-4-18(21(25)27)26(17)31(28,29)24-14-5-8-19(22)23-12-14/h5-8,11-12,17-18,20,24H,2-4,9-10H2,1H3
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183 -37.2n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23325
PNG
(3,3-dimethyl-1-[(2S)-2-[5-(pyridin-3-yl)pentanoyl]...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1cccnc1
Show InChI InChI=1S/C21H30N2O3/c1-4-21(2,3)19(25)20(26)23-14-8-11-17(23)18(24)12-6-5-9-16-10-7-13-22-15-16/h7,10,13,15,17H,4-6,8-9,11-12,14H2,1-3H3/t17-/m0/s1
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210 -34.9n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23390
PNG
(6-methoxy-N-(6-methoxypyridin-3-yl)-12-oxo-11,17-d...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(OC)nc4)C(=O)N3CCc2c1
Show InChI InChI=1S/C22H26N4O5S/c1-30-16-7-8-17-14(12-16)10-11-25-21(17)18-4-3-5-19(22(25)27)26(18)32(28,29)24-15-6-9-20(31-2)23-13-15/h6-9,12-13,18-19,21,24H,3-5,10-11H2,1-2H3
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210 -36.8n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23391
PNG
(6-methoxy-12-oxo-N-(3,4,5-trifluorophenyl)-11,17-d...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(F)c(F)c(F)c4)C(=O)N3CCc2c1
Show InChI InChI=1S/C22H22F3N3O4S/c1-32-14-5-6-15-12(9-14)7-8-27-21(15)18-3-2-4-19(22(27)29)28(18)33(30,31)26-13-10-16(23)20(25)17(24)11-13/h5-6,9-11,18-19,21,26H,2-4,7-8H2,1H3
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236 -36.6n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23324
PNG
(1-[(2S)-2-[5-(4-hydroxyphenyl)pentanoyl]pyrrolidin...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccc(O)cc1
Show InChI InChI=1S/C22H31NO4/c1-4-22(2,3)20(26)21(27)23-15-7-9-18(23)19(25)10-6-5-8-16-11-13-17(24)14-12-16/h11-14,18,24H,4-10,15H2,1-3H3/t18-/m0/s1
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240 -34.6n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23379
PNG
(17-(benzenesulfonyl)-4,6-dimethoxy-11,17-diazatetr...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccccc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C23H26N2O5S/c1-29-16-13-15-11-12-24-22(21(15)20(14-16)30-2)18-9-6-10-19(23(24)26)25(18)31(27,28)17-7-4-3-5-8-17/h3-5,7-8,13-14,18-19,22H,6,9-12H2,1-2H3
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244 -36.5n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23380
PNG
(17-[(4-ethylbenzene)sulfonyl]-4,6-dimethoxy-11,17-...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N1C2CCCC1C(=O)N1CCc3cc(OC)cc(OC)c3C21
Show InChI InChI=1S/C25H30N2O5S/c1-4-16-8-10-19(11-9-16)33(29,30)27-20-6-5-7-21(27)25(28)26-13-12-17-14-18(31-2)15-22(32-3)23(17)24(20)26/h8-11,14-15,20-21,24H,4-7,12-13H2,1-3H3
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266 -36.3n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23370
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4ccco4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C23H24N2O6/c1-29-14-11-13-8-9-24-20(19(13)18(12-14)30-2)15-5-3-6-16(22(24)27)25(15)23(28)21(26)17-7-4-10-31-17/h4,7,10-12,15-16,20H,3,5-6,8-9H2,1-2H3
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279 -36.2n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23381
PNG
(4,6-dimethoxy-17-({4-[(3,4,5-trimethoxyphenyl)amin...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4S(=O)(=O)c4ccc(Nc5cc(OC)c(OC)c(OC)c5)cc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C32H37N3O8S/c1-39-22-15-19-13-14-34-30(29(19)26(18-22)40-2)24-7-6-8-25(32(34)36)35(24)44(37,38)23-11-9-20(10-12-23)33-21-16-27(41-3)31(43-5)28(17-21)42-4/h9-12,15-18,24-25,30,33H,6-8,13-14H2,1-5H3
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288 -36.1n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23333
PNG
(3,3-dimethyl-1-[(2S)-2-(6-phenylhexanoyl)piperidin...)
Show SMILES CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C23H33NO3/c1-23(2,3)21(26)22(27)24-17-11-10-15-19(24)20(25)16-9-5-8-14-18-12-6-4-7-13-18/h4,6-7,12-13,19H,5,8-11,14-17H2,1-3H3/t19-/m0/s1
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290 -34.2n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23320
PNG
(1-cyclohexyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolid...)
Show SMILES O=C(CCCCc1ccccc1)[C@@H]1CCCN1C(=O)C(=O)C1CCCCC1
Show InChI InChI=1S/C23H31NO3/c25-21(16-8-7-12-18-10-3-1-4-11-18)20-15-9-17-24(20)23(27)22(26)19-13-5-2-6-14-19/h1,3-4,10-11,19-20H,2,5-9,12-17H2/t20-/m0/s1
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310 -34.0n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23382
PNG
(4,6-dimethoxy-N-(2-methylphenyl)-12-oxo-11,17-diaz...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4C)C3=O)c2c(OC)c1
Show InChI InChI=1S/C25H29N3O4/c1-15-7-4-5-8-18(15)26-25(30)28-19-9-6-10-20(28)24(29)27-12-11-16-13-17(31-2)14-21(32-3)22(16)23(19)27/h4-5,7-8,13-14,19-20,23H,6,9-12H2,1-3H3,(H,26,30)
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330 -35.8n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23383
PNG
(4,6-dimethoxy-N-(2-methoxyphenyl)-12-oxo-11,17-dia...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4OC)C3=O)c2c(OC)c1
Show InChI InChI=1S/C25H29N3O5/c1-31-16-13-15-11-12-27-23(22(15)21(14-16)33-3)18-8-6-9-19(24(27)29)28(18)25(30)26-17-7-4-5-10-20(17)32-2/h4-5,7,10,13-14,18-19,23H,6,8-9,11-12H2,1-3H3,(H,26,30)
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357 -35.6n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23392
PNG
(N-(6-chloropyridin-3-yl)-6-methoxy-12-oxo-11,17-di...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(Cl)nc4)C(=O)N3CCc2c1
Show InChI InChI=1S/C21H23ClN4O4S/c1-30-15-6-7-16-13(11-15)9-10-25-20(16)17-3-2-4-18(21(25)27)26(17)31(28,29)24-14-5-8-19(22)23-12-14/h5-8,11-12,17-18,20,24H,2-4,9-10H2,1H3
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360 -35.5n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23393
PNG
(6-methoxy-17-(piperidine-1-sulfonyl)-11,17-diazate...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)N4CCCCC4)C(=O)N3CCc2c1
Show InChI InChI=1S/C21H29N3O4S/c1-28-16-8-9-17-15(14-16)10-13-23-20(17)18-6-5-7-19(21(23)25)24(18)29(26,27)22-11-3-2-4-12-22/h8-9,14,18-20H,2-7,10-13H2,1H3
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360 -35.5n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23326
PNG
(1-[(2S)-2-[5,5-bis(4-fluorophenyl)pentanoyl]pyrrol...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCC(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2NO3/c1-4-28(2,3)26(33)27(34)31-18-6-8-24(31)25(32)9-5-7-23(19-10-14-21(29)15-11-19)20-12-16-22(30)17-13-20/h10-17,23-24H,4-9,18H2,1-3H3/t24-/m0/s1
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460 -33.1n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23394
PNG
(6-methoxy-12-oxo-N-(2,4,5-trifluorophenyl)-11,17-d...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(F)c(F)cc4F)C(=O)N3CCc2c1
Show InChI InChI=1S/C22H22F3N3O4S/c1-32-13-5-6-14-12(9-13)7-8-27-21(14)19-3-2-4-20(22(27)29)28(19)33(30,31)26-18-11-16(24)15(23)10-17(18)25/h5-6,9-11,19-21,26H,2-4,7-8H2,1H3
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590 -34.4n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23395
PNG
(6-methoxy-N-[6-(morpholin-4-yl)pyridin-3-yl]-12-ox...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4ccc(nc4)N4CCOCC4)C(=O)N3CCc2c1
Show InChI InChI=1S/C25H31N5O5S/c1-34-19-6-7-20-17(15-19)9-10-29-24(20)21-3-2-4-22(25(29)31)30(21)36(32,33)27-18-5-8-23(26-16-18)28-11-13-35-14-12-28/h5-8,15-16,21-22,24,27H,2-4,9-14H2,1H3
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591 -34.4n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23396
PNG
(6-methoxy-12-oxo-N-(3,4,5-trimethoxyphenyl)-11,17-...)
Show SMILES COc1ccc2C3C4CCCC(N4S(=O)(=O)Nc4cc(OC)c(OC)c(OC)c4)C(=O)N3CCc2c1
Show InChI InChI=1S/C25H31N3O7S/c1-32-17-8-9-18-15(12-17)10-11-27-23(18)19-6-5-7-20(25(27)29)28(19)36(30,31)26-16-13-21(33-2)24(35-4)22(14-16)34-3/h8-9,12-14,19-20,23,26H,5-7,10-11H2,1-4H3
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640 -34.2n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23384
PNG
(4,6-dimethoxy-N-(4-nitrophenyl)-12-oxo-11,17-diaza...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccc(cc4)[N+]([O-])=O)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H26N4O6/c1-33-17-12-14-10-11-26-22(21(14)20(13-17)34-2)18-4-3-5-19(23(26)29)27(18)24(30)25-15-6-8-16(9-7-15)28(31)32/h6-9,12-13,18-19,22H,3-5,10-11H2,1-2H3,(H,25,30)
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772 -33.7n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23330
PNG
(3,3-dimethyl-1-[(2S)-2-(5-phenylpentanoyl)piperidi...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCc1ccccc1
Show InChI InChI=1S/C23H33NO3/c1-4-23(2,3)21(26)22(27)24-17-11-10-15-19(24)20(25)16-9-8-14-18-12-6-5-7-13-18/h5-7,12-13,19H,4,8-11,14-17H2,1-3H3/t19-/m0/s1
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790 -31.9n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23332
PNG
(3,3-dimethyl-1-[(2S)-2-[6-(pyridin-3-yl)hexanoyl]p...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1cccnc1
Show InChI InChI=1S/C23H34N2O3/c1-4-23(2,3)21(27)22(28)25-16-9-8-13-19(25)20(26)14-7-5-6-11-18-12-10-15-24-17-18/h10,12,15,17,19H,4-9,11,13-14,16H2,1-3H3/t19-/m0/s1
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900 -31.6n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23317
PNG
(3,3-dimethyl-1-[(2S)-2-pentanoylpyrrolidin-1-yl]pe...)
Show SMILES CCCCC(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)CC
Show InChI InChI=1S/C16H27NO3/c1-5-7-10-13(18)12-9-8-11-17(12)15(20)14(19)16(3,4)6-2/h12H,5-11H2,1-4H3/t12-/m0/s1
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2.00E+3 -29.8n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23371
PNG
(1-{4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)C(=O)c4cc5ccccc5[nH]4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C27H27N3O5/c1-34-17-12-16-10-11-29-24(23(16)22(14-17)35-2)20-8-5-9-21(26(29)32)30(20)27(33)25(31)19-13-15-6-3-4-7-18(15)28-19/h3-4,6-7,12-14,20-21,24,28H,5,8-11H2,1-2H3
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2.30E+3 -31.1n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23385
PNG
(4,6-dimethoxy-12-oxo-N-phenyl-11,17-diazatetracycl...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccccc4)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H27N3O4/c1-30-17-13-15-11-12-26-22(21(15)20(14-17)31-2)18-9-6-10-19(23(26)28)27(18)24(29)25-16-7-4-3-5-8-16/h3-5,7-8,13-14,18-19,22H,6,9-12H2,1-2H3,(H,25,29)
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2.70E+3 -30.7n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23331
PNG
(3,3-dimethyl-1-[(2S)-2-(6-phenylhexanoyl)piperidin...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C24H35NO3/c1-4-24(2,3)22(27)23(28)25-18-12-11-16-20(25)21(26)17-10-6-9-15-19-13-7-5-8-14-19/h5,7-8,13-14,20H,4,6,9-12,15-18H2,1-3H3/t20-/m0/s1
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3.00E+3 -28.9n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23328
PNG
(3,3-dimethyl-1-[(2S)-2-pentanoylpiperidin-1-yl]pen...)
Show SMILES CCCCC(=O)[C@@H]1CCCCN1C(=O)C(=O)C(C)(C)CC
Show InChI InChI=1S/C17H29NO3/c1-5-7-11-14(19)13-10-8-9-12-18(13)16(21)15(20)17(3,4)6-2/h13H,5-12H2,1-4H3/t13-/m0/s1
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3.40E+3 -28.6n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23327
PNG
(3,3-dimethyl-1-[(2S)-2-(6-phenylhexanoyl)pyrrolidi...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCCc1ccccc1
Show InChI InChI=1S/C23H33NO3/c1-4-23(2,3)21(26)22(27)24-17-11-15-19(24)20(25)16-10-6-9-14-18-12-7-5-8-13-18/h5,7-8,12-13,19H,4,6,9-11,14-17H2,1-3H3/t19-/m0/s1
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3.80E+3 -28.3n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23386
PNG
(N-(2,4-difluorophenyl)-4,6-dimethoxy-12-oxo-11,17-...)
Show SMILES COc1cc2CCN3C(C4CCCC(N4C(=O)Nc4ccc(F)cc4F)C3=O)c2c(OC)c1
Show InChI InChI=1S/C24H25F2N3O4/c1-32-15-10-13-8-9-28-22(21(13)20(12-15)33-2)18-4-3-5-19(23(28)30)29(18)24(31)27-17-7-6-14(25)11-16(17)26/h6-7,10-12,18-19,22H,3-5,8-9H2,1-2H3,(H,27,31)
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7.00E+3 -28.4n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23329
PNG
(3,3-dimethyl-1-[(2S)-2-(4-phenylbutanoyl)piperidin...)
Show SMILES CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCc1ccccc1
Show InChI InChI=1S/C22H31NO3/c1-4-22(2,3)20(25)21(26)23-16-9-8-14-18(23)19(24)15-10-13-17-11-6-5-7-12-17/h5-7,11-12,18H,4,8-10,13-16H2,1-3H3/t18-/m0/s1
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1.00E+4 -26.1n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23321
PNG
(1-phenyl-2-[(2S)-2-(5-phenylpentanoyl)pyrrolidin-1...)
Show SMILES O=C(CCCCc1ccccc1)[C@@H]1CCCN1C(=O)C(=O)c1ccccc1
Show InChI InChI=1S/C23H25NO3/c25-21(16-8-7-12-18-10-3-1-4-11-18)20-15-9-17-24(20)23(27)22(26)19-13-5-2-6-14-19/h1-6,10-11,13-14,20H,7-9,12,15-17H2/t20-/m0/s1
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1.00E+4 -26.1n/an/an/an/an/a8.00



Guilford Pharmaceuticals, Inc.



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 45: 3558-68 (2002)

More data for this
Ligand-Target Pair
Immunophilin FKBP12


(Bos taurus (bovine))
BDBM23366
PNG
(1-{4,6-dimethoxy-11,17-diazatetracyclo[11.3.1.0^{2...)
Show SMILES COc1cc2CCN3CC4CCCC(C3c2c(OC)c1)N4C(=O)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H34N2O7/c1-33-19-11-16-9-10-29-15-18-7-6-8-20(25(29)24(16)21(14-19)34-2)30(18)28(32)26(31)17-12-22(35-3)27(37-5)23(13-17)36-4/h11-14,18,20,25H,6-10,15H2,1-5H3
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3.17E+4 -24.8n/an/an/an/an/a8.015



Pfizer



Assay Description
PPIase(Rotamase) activity of FKBP12 was assayed using the peptide N-succinyl Ala-Leu-Pro-Phe p-nitroanilide as substrate. It is based on the observat...


J Med Chem 49: 1202-6 (2006)

More data for this
Ligand-Target Pair